3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]indol-1-yl]propionitrile Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N=C(S1)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1C2=CC=CC=C2N=C(S1)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H17N3OS2/c22-10-5-11-24-12-17(16-7-2-4-9-19(16)24)20(25)14-27-21-23-18-8-3-1-6-15(18)13-26-21/h1-4,6-9,12H,5,11,13-14H2